CID 3055195

1-(2-((2,4-dichlorophenoxy)methoxy)-2-(2,4-dichlorophenyl)ethyl)-1h-imidazole nitrate

Structural Information

Molecular Formula

C₁₈H₁₄Cl₄N₂O₂

SMILES

C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)OCOC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H14Cl4N2O2/c19-12-1-3-14(15(21)7-12)18(9-24-6-5-23-10-24)26-11-25-17-4-2-13(20)8-16(17)22/h1-8,10,18H,9,11H2

InChIKey

MDNBYOPRDPOIMR-UHFFFAOYSA-N

Compound name

1-[2-[(2,4-dichlorophenoxy)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 429.98093 Da
Monoisotopic Mass: 6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	430.988206	191.4
[M+Na]+	452.970148	200.6
[M-H]-	428.973654	194.7
[M+NH4]+	448.014753	201.3
[M+K]+	468.944088	193.7
[M+H-H2O]+	412.978190	182.1
[M+HCOO]-	474.979131	191.8
[M+CH3COO]-	488.994781	199.3
[M+Na-2H]-	450.955596	189.1
[M]+	429.98038142	197.1
[M]-	429.98147858	197.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.